Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC1=NN(CC(=O)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=CC=CC=C12

InChIKey

InChIKey=VUQFWSYOMGCGCU-UHFFFAOYSA-N

Formula

C20H12F3N3O4S

Mass

447.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Phthalazines

Direct Parent

Phthalazinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazinone - 1,3-benzothiazole - Aryl alkyl ketone - Aryl ketone - Pyridazinone - Benzenoid - Pyridazine - Azole - Heteroaromatic compound - Thiazole - Ketone - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.

External Descriptors

Not available

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